methyl 7-methoxy-3-[(4-methylphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 7-methoxy-3-[(4-methylphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 7-methoxy-3-[(4-methylbenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 7-methoxy-3-[[(4-methylphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-methoxy-1-oxido-3-(p-toluoyloxymethyl)quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2=NC3=C(C=C(C=C3)OC)[N+](=C2C(=O)OC)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2=NC3=C(C=C(C=C3)OC)[N+](=C2C(=O)OC)[O-]

InChI

InChI=1S/C20H18N2O6/c1-12-4-6-13(7-5-12)19(23)28-11-16-18(20(24)27-3)22(25)17-10-14(26-2)8-9-15(17)21-16/h4-10H,11H2,1-3H3